N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide

C23H23N7O2 — CID 70682213

IUPACN-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2CCCO
InChIInChI=1S/C23H23N7O2/c1-14(32)26-17-5-6-21-18(9-17)19(13-29(21)7-2-8-31)20-10-22(27-16-3-4-16)30-23(28-20)15(11-24)12-25-30/h5-6,9-10,12-13,16,27,31H,2-4,7-8H2,1H3,(H,26,32)
InChIKeyOAKYYFZNZIPXEQ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.14
Rot. Bonds7

About N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide

N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide (PubChem CID 70682213) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide
PubChem CID70682213
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC NameN-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2CCCO
InChIInChI=1S/C23H23N7O2/c1-14(32)26-17-5-6-21-18(9-17)19(13-29(21)7-2-8-31)20-10-22(27-16-3-4-16)30-23(28-20)15(11-24)12-25-30/h5-6,9-10,12-13,16,27,31H,2-4,7-8H2,1H3,(H,26,32)
InChIKeyOAKYYFZNZIPXEQ-UHFFFAOYSA-N
XLogP3.14
TPSA120.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
CID 57384039
N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-5-yl]acetamide
CID 136254272
3-{5-(Acetylamino)-3-[3-Cyano-7-(Cyclopropylamino)pyrazolo[1,5-A]pyrimidin-5-Yl]-1h-Indol-1-Yl}propanoic Acid
CID 70682214
1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
2-[(3-Cyano-1-methylindazol-5-yl)amino]-4-(cyclopropylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 89919749
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydroindol-6-yl]acetamide
CID 57384040
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]-N-methylacetamide
CID 70682212
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolo[3,2-b]pyridin-6-yl]acetamide
CID 70684312
N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
CID 70684313
7-(Cyclopropylamino)-5-[6-(methylsulfonylmethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70684314
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide
CID 70686473
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide
CID 70688569

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide?
The IUPAC name of N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide (CID 70682213) is N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide.
What is the SMILES notation for N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide?
The canonical SMILES for N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2CCCO.
What is the InChIKey of N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide?
The InChIKey is OAKYYFZNZIPXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-14(32)26-17-5-6-21-18(9-17)19(13-29(21)7-2-8-31)20-10-22(27-16-3-4-16)30-23(28-20)15(11-24)12-25-30/h5-6,9-10,12-13,16,27,31H,2-4,7-8H2,1H3,(H,26,32).
What are the key properties of N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide?
N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(3-hydroxypropyl)indol-5-yl]acetamide is sourced from PubChem (CID 70682213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).